Dataset

Diflubenzuron

This MassBank record with Accession MSBNK-Eawag-EQ00351859 contains the MS2 mass spectrum of Diflubenzuron with the InChIkey QQQYTWIFVNKMRW-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
SMILES	FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1
InChI Key	QQQYTWIFVNKMRW-UHFFFAOYSA-N
Molecular Formula	C14H9ClF2N2O2
Exact Mass	310.032 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00351859
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:04:59.945311
MetadataModified	2025-02-09T10:05:00.185030
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
37123	PubChem
PD000583	ProbesDrugs
J76U6ZSI8D	FDA SRS
14800952	PubChem: Thomson Pharma
104790-81-0	ACToR
35367-38-5	ACToR
509740	eMolecules
CB8162496	ChemicalBook
44046	Brenda
HMDB0031778	Human Metabolome Database
SCHEMBL42416	SureChEMBL
MCULE-6280315206	Mcule
CHEMBL49338	ChEMBL
34703	ChEBI
C14427	KEGG Ligand
DIFLUBENZURON	rxnorm
HY-B1973	MedChemExpress
DTXSID1024049	EPA CompTox Dashboard
CPFBUR	CCDC
J1.888K	Nikkaji
ZINC000000236891	ZINC
The data in this table is sourced from UniChem at EBI.